1-[(7-azanyl-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-en-1-yl)methyl]pyridin-1-ium-4-carboxylic acid

Systemtic Name: 1-[(7-azanyl-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-en-1-yl)methyl]pyridin-1-ium-4-carboxylic acid Openeye Name: 1-[(7-amino-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-en-1-yl)methyl]pyridin-1-ium-4-carboxylic acid CAS Name: 1-[(7-amino-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-en-1-yl)methyl]-4-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[(7-amino-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-en-1-yl)methyl]pyridin-1-ium-4-carboxylic acid Traditional Name: 1-[(7-amino-8-keto-5-thia-1-azoniabicyclo[4.2.0]oct-2-en-1-yl)methyl]pyridin-1-ium-4-carboxylic acid Formula: C13H15N3O3S+2 MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C[N+]2(C(S1)C(C2=O)N)C[N+]3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C=C[N+]2(C(S1)C(C2=O)N)C[N+]3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C13H14N3O3S/c14-10-11(17)16(6-1-7-20-12(10)16)8-15-4-2-9(3-5-15)13(18)19/h1-6,10,12H,7-8,14H2/q+1/p+1